Found 109 results

Search term: MF = 'C_{29}H_{35}F_{2}N_{3}O_{3}'
ChemSpider 2D Image | 2-(1-{4-[Cyclopropyl(methyl)amino]-1-piperidinyl}-3-methyl-1-oxo-2-butanyl)-7-(2,4-difluorophenoxy)-3,4-dihydro-1(2H)-isoquinolinone | C29H35F2N3O3

2-(1-{4-[Cyclopropyl(methyl)amino]-1-piperidinyl}-3-methyl-1-oxo-2-butanyl)-7-(2,4-difluorophenoxy)-3,4-dihydro-1(2H)-isoquinolinone

  • Molecular FormulaC29H35F2N3O3
  • Average mass511.603 Da
  • Monoisotopic mass511.264648 Da
  • ChemSpider ID9686629

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1(2H)-Isoquinolinone, 2-[1-[[4-(cyclopropylmethylamino)-1-piperidinyl]carbonyl]-2-methylpropyl]-7-(2,4-difluorophenoxy)-3,4-dihydro- [ACD/Index Name]
2-(1-{4-[Cyclopropyl(méthyl)amino]-1-pipéridinyl}-3-méthyl-1-oxo-2-butanyl)-7-(2,4-difluorophénoxy)-3,4-dihydro-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
2-(1-{4-[Cyclopropyl(methyl)amino]-1-piperidinyl}-3-methyl-1-oxo-2-butanyl)-7-(2,4-difluorophenoxy)-3,4-dihydro-1(2H)-isoquinolinone [ACD/IUPAC Name]
2-(1-{4-[Cyclopropyl(methyl)amino]-1-piperidinyl}-3-methyl-1-oxo-2-butanyl)-7-(2,4-difluorphenoxy)-3,4-dihydro-1(2H)-isochinolinon [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 633.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.7±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 137.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 2.83
ACD/KOC (pH 5.5): 11.26
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 92.46
ACD/KOC (pH 7.4): 368.13
Polar Surface Area: 53 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 399.4±5.0 cm3

Click to predict properties on the Chemicalize site


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